USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 LYS NZ :NH3+ 158:sc= 0.00354 (180deg=0) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 94 SER OG : rot 180:sc= -0.323 USER MOD Set 2.1: A 67 MET CE :methyl 179:sc= -0.0854 (180deg=-0.0876) USER MOD Set 2.2: A 90 SER OG : rot -170:sc= 0 USER MOD Set 3.1: A 38 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 47 LYS NZ :NH3+ 155:sc= 0.188 (180deg=0.0506) USER MOD Single : A 39 THR OG1 : rot 102:sc= 0.75 USER MOD Single : A 45 TYR OH : rot 171:sc= 1.21 USER MOD Single : A 53 MET CE :methyl 156:sc= -0.46 (180deg=-0.916) USER MOD Single : A 58 GLN : amide:sc= -0.317 K(o=-0.32,f=-1.4!) USER MOD Single : A 65 MET CE :methyl -156:sc= -0.119 (180deg=-0.603) USER MOD Single : A 70 SER OG : rot 41:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 101:sc= 0.532 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.0277 USER MOD Single : A 107 GLN : amide:sc= -0.77 K(o=-0.77,f=-5.3!) USER MOD Single : A 112 GLN : amide:sc= 0.874 K(o=0.87,f=-1.1) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc=-0.00281 X(o=-0.0028,f=-0.066) USER MOD Single : A 120 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-4.3!) USER MOD Single : A 124 LYS NZ :NH3+ -173:sc= 0.472 (180deg=0.282) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 100 N LEU A 36 4.187 -10.414 0.635 1.00 0.00 N ATOM 101 CA LEU A 36 2.837 -10.651 0.157 1.00 0.00 C ATOM 102 C LEU A 36 2.245 -9.424 -0.528 1.00 0.00 C ATOM 103 O LEU A 36 2.879 -8.377 -0.652 1.00 0.00 O ATOM 104 CB LEU A 36 1.992 -11.111 1.363 1.00 0.00 C ATOM 105 CG LEU A 36 1.973 -10.142 2.553 1.00 0.00 C ATOM 106 CD1 LEU A 36 1.263 -8.825 2.262 1.00 0.00 C ATOM 107 CD2 LEU A 36 1.359 -10.851 3.761 1.00 0.00 C ATOM 0 HA LEU A 36 2.844 -11.426 -0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.967 -11.271 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.370 -12.074 1.705 1.00 0.00 H new ATOM 0 HG LEU A 36 3.005 -9.863 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.291 -8.193 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.764 -8.316 1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.226 -9.023 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.341 -10.170 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.341 -11.161 3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.956 -11.728 4.010 1.00 0.00 H new ATOM 119 N PHE A 37 0.986 -9.540 -0.929 1.00 0.00 N ATOM 120 CA PHE A 37 0.178 -8.455 -1.461 1.00 0.00 C ATOM 121 C PHE A 37 -1.305 -8.783 -1.266 1.00 0.00 C ATOM 122 O PHE A 37 -1.649 -9.941 -1.008 1.00 0.00 O ATOM 123 CB PHE A 37 0.532 -8.277 -2.942 1.00 0.00 C ATOM 124 CG PHE A 37 0.276 -6.882 -3.442 1.00 0.00 C ATOM 125 CD1 PHE A 37 1.186 -5.857 -3.124 1.00 0.00 C ATOM 126 CD2 PHE A 37 -0.860 -6.602 -4.213 1.00 0.00 C ATOM 127 CE1 PHE A 37 0.980 -4.555 -3.589 1.00 0.00 C ATOM 128 CE2 PHE A 37 -1.083 -5.297 -4.663 1.00 0.00 C ATOM 129 CZ PHE A 37 -0.148 -4.288 -4.368 1.00 0.00 C ATOM 0 H PHE A 37 0.482 -10.426 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 37 0.379 -7.520 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.583 -8.524 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.048 -8.983 -3.536 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.051 -6.078 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.558 -7.389 -4.458 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.681 -3.769 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.969 -5.065 -5.235 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.305 -3.290 -4.750 1.00 0.00 H new ATOM 139 N TYR A 38 -2.157 -7.762 -1.355 1.00 0.00 N ATOM 140 CA TYR A 38 -3.619 -7.784 -1.322 1.00 0.00 C ATOM 141 C TYR A 38 -4.145 -6.684 -2.248 1.00 0.00 C ATOM 142 O TYR A 38 -3.366 -5.833 -2.687 1.00 0.00 O ATOM 143 CB TYR A 38 -4.097 -7.482 0.104 1.00 0.00 C ATOM 144 CG TYR A 38 -3.778 -8.565 1.100 1.00 0.00 C ATOM 145 CD1 TYR A 38 -2.505 -8.609 1.707 1.00 0.00 C ATOM 146 CD2 TYR A 38 -4.762 -9.507 1.444 1.00 0.00 C ATOM 147 CE1 TYR A 38 -2.159 -9.645 2.591 1.00 0.00 C ATOM 148 CE2 TYR A 38 -4.428 -10.540 2.322 1.00 0.00 C ATOM 149 CZ TYR A 38 -3.125 -10.653 2.857 1.00 0.00 C ATOM 150 OH TYR A 38 -2.871 -11.774 3.576 1.00 0.00 O ATOM 0 H TYR A 38 -1.808 -6.810 -1.462 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.981 -8.762 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.642 -6.550 0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -5.175 -7.323 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.785 -7.834 1.489 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.759 -9.433 1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.185 -9.675 3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.179 -11.266 2.597 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.683 -12.320 3.629 1.00 0.00 H new ATOM 160 N THR A 39 -5.457 -6.610 -2.482 1.00 0.00 N ATOM 161 CA THR A 39 -6.056 -5.525 -3.250 1.00 0.00 C ATOM 162 C THR A 39 -7.324 -4.980 -2.590 1.00 0.00 C ATOM 163 O THR A 39 -7.803 -5.595 -1.637 1.00 0.00 O ATOM 164 CB THR A 39 -6.261 -5.963 -4.719 1.00 0.00 C ATOM 165 OG1 THR A 39 -6.868 -7.237 -4.797 1.00 0.00 O ATOM 166 CG2 THR A 39 -4.927 -6.023 -5.472 1.00 0.00 C ATOM 0 H THR A 39 -6.129 -7.299 -2.144 1.00 0.00 H new ATOM 0 HA THR A 39 -5.365 -4.682 -3.260 1.00 0.00 H new ATOM 0 HB THR A 39 -6.911 -5.217 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.818 -7.134 -5.015 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.104 -6.334 -6.502 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.461 -5.038 -5.465 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.266 -6.740 -4.985 1.00 0.00 H new ATOM 174 N PRO A 40 -7.816 -3.797 -3.014 1.00 0.00 N ATOM 175 CA PRO A 40 -8.900 -3.096 -2.346 1.00 0.00 C ATOM 176 C PRO A 40 -10.242 -3.822 -2.295 1.00 0.00 C ATOM 177 O PRO A 40 -11.119 -3.331 -1.600 1.00 0.00 O ATOM 178 CB PRO A 40 -9.048 -1.746 -3.047 1.00 0.00 C ATOM 179 CG PRO A 40 -7.684 -1.499 -3.666 1.00 0.00 C ATOM 180 CD PRO A 40 -7.202 -2.907 -3.989 1.00 0.00 C ATOM 0 HA PRO A 40 -8.627 -3.007 -1.295 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.831 -1.774 -3.805 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -9.315 -0.958 -2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.752 -0.879 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.012 -0.990 -2.975 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.486 -3.190 -5.003 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.115 -2.965 -3.935 1.00 0.00 H new ATOM 188 N GLY A 41 -10.431 -4.947 -2.984 1.00 0.00 N ATOM 189 CA GLY A 41 -11.550 -5.845 -2.752 1.00 0.00 C ATOM 190 C GLY A 41 -11.112 -7.006 -1.871 1.00 0.00 C ATOM 191 O GLY A 41 -11.829 -7.433 -0.974 1.00 0.00 O ATOM 0 H GLY A 41 -9.803 -5.259 -3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.368 -5.305 -2.275 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.928 -6.221 -3.703 1.00 0.00 H new ATOM 195 N GLU A 42 -9.897 -7.510 -2.059 1.00 0.00 N ATOM 196 CA GLU A 42 -9.463 -8.811 -1.591 1.00 0.00 C ATOM 197 C GLU A 42 -8.935 -8.710 -0.154 1.00 0.00 C ATOM 198 O GLU A 42 -8.128 -9.535 0.282 1.00 0.00 O ATOM 199 CB GLU A 42 -8.417 -9.366 -2.576 1.00 0.00 C ATOM 200 CG GLU A 42 -8.920 -9.544 -4.019 1.00 0.00 C ATOM 201 CD GLU A 42 -10.032 -10.581 -4.240 1.00 0.00 C ATOM 202 OE1 GLU A 42 -10.198 -11.536 -3.453 1.00 0.00 O ATOM 203 OE2 GLU A 42 -10.660 -10.536 -5.321 1.00 0.00 O ATOM 0 H GLU A 42 -9.167 -7.003 -2.559 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.300 -9.509 -1.561 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.557 -8.697 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.066 -10.330 -2.207 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.279 -8.579 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.070 -9.818 -4.644 1.00 0.00 H new ATOM 210 N ILE A 43 -9.352 -7.683 0.597 1.00 0.00 N ATOM 211 CA ILE A 43 -9.188 -7.651 2.038 1.00 0.00 C ATOM 212 C ILE A 43 -10.569 -7.937 2.622 1.00 0.00 C ATOM 213 O ILE A 43 -10.733 -8.838 3.439 1.00 0.00 O ATOM 214 CB ILE A 43 -8.541 -6.299 2.426 1.00 0.00 C ATOM 215 CG1 ILE A 43 -7.089 -6.312 1.876 1.00 0.00 C ATOM 216 CG2 ILE A 43 -8.668 -6.011 3.941 1.00 0.00 C ATOM 217 CD1 ILE A 43 -6.147 -5.337 2.564 1.00 0.00 C ATOM 0 H ILE A 43 -9.811 -6.856 0.214 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.510 -8.401 2.445 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.067 -5.458 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.685 -7.320 1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.115 -6.082 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.201 -5.053 4.170 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.722 -5.976 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.171 -6.801 4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.155 -5.413 2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.523 -4.321 2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.086 -5.577 3.625 1.00 0.00 H new ATOM 229 N LEU A 44 -11.566 -7.194 2.149 1.00 0.00 N ATOM 230 CA LEU A 44 -12.907 -7.120 2.682 1.00 0.00 C ATOM 231 C LEU A 44 -13.727 -8.304 2.223 1.00 0.00 C ATOM 232 O LEU A 44 -14.486 -8.879 3.002 1.00 0.00 O ATOM 233 CB LEU A 44 -13.612 -5.807 2.302 1.00 0.00 C ATOM 234 CG LEU A 44 -12.994 -4.758 1.345 1.00 0.00 C ATOM 235 CD1 LEU A 44 -11.489 -4.531 1.265 1.00 0.00 C ATOM 236 CD2 LEU A 44 -13.660 -4.801 -0.018 1.00 0.00 C ATOM 0 H LEU A 44 -11.443 -6.594 1.333 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.821 -7.143 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -14.574 -6.087 1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.819 -5.287 3.237 1.00 0.00 H new ATOM 0 HG LEU A 44 -13.239 -3.846 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.277 -3.753 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.115 -4.222 2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.997 -5.456 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.206 -4.054 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.530 -5.791 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -14.724 -4.589 0.090 1.00 0.00 H new ATOM 248 N TYR A 45 -13.557 -8.658 0.956 1.00 0.00 N ATOM 249 CA TYR A 45 -14.182 -9.799 0.322 1.00 0.00 C ATOM 250 C TYR A 45 -13.393 -11.075 0.635 1.00 0.00 C ATOM 251 O TYR A 45 -13.720 -12.129 0.098 1.00 0.00 O ATOM 252 CB TYR A 45 -14.276 -9.512 -1.189 1.00 0.00 C ATOM 253 CG TYR A 45 -14.935 -8.190 -1.592 1.00 0.00 C ATOM 254 CD1 TYR A 45 -15.768 -7.477 -0.692 1.00 0.00 C ATOM 255 CD2 TYR A 45 -14.709 -7.658 -2.884 1.00 0.00 C ATOM 256 CE1 TYR A 45 -16.394 -6.285 -1.091 1.00 0.00 C ATOM 257 CE2 TYR A 45 -15.350 -6.476 -3.280 1.00 0.00 C ATOM 258 CZ TYR A 45 -16.180 -5.767 -2.383 1.00 0.00 C ATOM 259 OH TYR A 45 -16.724 -4.564 -2.718 1.00 0.00 O ATOM 0 H TYR A 45 -12.955 -8.134 0.321 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.189 -9.961 0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.268 -9.531 -1.604 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.829 -10.326 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -15.922 -7.854 0.308 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -14.041 -8.164 -3.566 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -17.043 -5.763 -0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -15.208 -6.103 -4.283 1.00 0.00 H new ATOM 0 HH TYR A 45 -16.371 -4.275 -3.585 1.00 0.00 H new ATOM 269 N GLY A 46 -12.348 -10.987 1.472 1.00 0.00 N ATOM 270 CA GLY A 46 -11.325 -12.004 1.674 1.00 0.00 C ATOM 271 C GLY A 46 -10.461 -12.121 0.424 1.00 0.00 C ATOM 272 O GLY A 46 -10.744 -11.482 -0.582 1.00 0.00 O ATOM 0 H GLY A 46 -12.193 -10.161 2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.706 -11.745 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.792 -12.964 1.896 1.00 0.00 H new ATOM 276 N LYS A 47 -9.363 -12.868 0.505 1.00 0.00 N ATOM 277 CA LYS A 47 -8.281 -12.777 -0.468 1.00 0.00 C ATOM 278 C LYS A 47 -8.492 -13.654 -1.695 1.00 0.00 C ATOM 279 O LYS A 47 -9.101 -14.714 -1.592 1.00 0.00 O ATOM 280 CB LYS A 47 -6.984 -13.142 0.234 1.00 0.00 C ATOM 281 CG LYS A 47 -5.803 -12.416 -0.402 1.00 0.00 C ATOM 282 CD LYS A 47 -4.547 -13.045 0.175 1.00 0.00 C ATOM 283 CE LYS A 47 -3.308 -12.279 -0.256 1.00 0.00 C ATOM 284 NZ LYS A 47 -2.076 -12.757 0.400 1.00 0.00 N ATOM 0 H LYS A 47 -9.200 -13.551 1.245 1.00 0.00 H new ATOM 0 HA LYS A 47 -8.250 -11.755 -0.845 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.051 -12.882 1.290 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.827 -14.219 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.824 -12.518 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.839 -11.349 -0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.610 -13.059 1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.471 -14.081 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.193 -12.363 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.445 -11.221 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.255 -12.530 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.972 -12.292 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.132 -13.787 0.535 1.00 0.00 H new ATOM 385 N MET A 53 -8.600 -14.310 5.267 1.00 0.00 N ATOM 386 CA MET A 53 -8.674 -12.972 5.849 1.00 0.00 C ATOM 387 C MET A 53 -7.275 -12.548 6.306 1.00 0.00 C ATOM 388 O MET A 53 -6.675 -13.264 7.120 1.00 0.00 O ATOM 389 CB MET A 53 -9.643 -12.980 7.045 1.00 0.00 C ATOM 390 CG MET A 53 -11.099 -12.803 6.603 1.00 0.00 C ATOM 391 SD MET A 53 -11.630 -11.066 6.554 1.00 0.00 S ATOM 392 CE MET A 53 -12.538 -11.029 4.988 1.00 0.00 C ATOM 0 HA MET A 53 -9.041 -12.265 5.106 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.540 -13.919 7.589 1.00 0.00 H new ATOM 0 HB3 MET A 53 -9.374 -12.181 7.736 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.227 -13.243 5.614 1.00 0.00 H new ATOM 0 HG3 MET A 53 -11.748 -13.355 7.284 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.261 -10.213 5.006 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.839 -10.877 4.166 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.062 -11.975 4.849 1.00 0.00 H new ATOM 402 N PRO A 54 -6.734 -11.400 5.851 1.00 0.00 N ATOM 403 CA PRO A 54 -5.546 -10.832 6.468 1.00 0.00 C ATOM 404 C PRO A 54 -5.818 -10.465 7.922 1.00 0.00 C ATOM 405 O PRO A 54 -6.944 -10.155 8.314 1.00 0.00 O ATOM 406 CB PRO A 54 -5.204 -9.580 5.669 1.00 0.00 C ATOM 407 CG PRO A 54 -6.537 -9.163 5.057 1.00 0.00 C ATOM 408 CD PRO A 54 -7.262 -10.481 4.851 1.00 0.00 C ATOM 0 HA PRO A 54 -4.724 -11.548 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.795 -8.797 6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.459 -9.787 4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -7.092 -8.499 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.397 -8.631 4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -8.338 -10.355 4.969 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.094 -10.864 3.844 1.00 0.00 H new ATOM 416 N GLU A 55 -4.751 -10.441 8.702 1.00 0.00 N ATOM 417 CA GLU A 55 -4.784 -10.122 10.112 1.00 0.00 C ATOM 418 C GLU A 55 -4.856 -8.605 10.268 1.00 0.00 C ATOM 419 O GLU A 55 -4.014 -7.890 9.724 1.00 0.00 O ATOM 420 CB GLU A 55 -3.485 -10.657 10.738 1.00 0.00 C ATOM 421 CG GLU A 55 -3.734 -11.484 11.991 1.00 0.00 C ATOM 422 CD GLU A 55 -2.434 -12.128 12.456 1.00 0.00 C ATOM 423 OE1 GLU A 55 -1.512 -11.403 12.887 1.00 0.00 O ATOM 424 OE2 GLU A 55 -2.335 -13.375 12.384 1.00 0.00 O ATOM 0 H GLU A 55 -3.813 -10.649 8.359 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.648 -10.570 10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.957 -11.266 10.004 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -2.833 -9.819 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.139 -10.851 12.780 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.478 -12.254 11.787 1.00 0.00 H new ATOM 431 N VAL A 56 -5.781 -8.108 11.084 1.00 0.00 N ATOM 432 CA VAL A 56 -5.769 -6.720 11.545 1.00 0.00 C ATOM 433 C VAL A 56 -4.480 -6.402 12.340 1.00 0.00 C ATOM 434 O VAL A 56 -4.201 -5.240 12.618 1.00 0.00 O ATOM 435 CB VAL A 56 -7.084 -6.476 12.320 1.00 0.00 C ATOM 436 CG1 VAL A 56 -7.096 -5.218 13.190 1.00 0.00 C ATOM 437 CG2 VAL A 56 -8.244 -6.345 11.323 1.00 0.00 C ATOM 0 H VAL A 56 -6.562 -8.656 11.446 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.738 -6.021 10.709 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.184 -7.333 12.985 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.059 -5.133 13.693 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -6.302 -5.283 13.934 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -6.935 -4.341 12.563 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.173 -6.173 11.866 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -8.055 -5.506 10.653 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -8.329 -7.263 10.741 1.00 0.00 H new ATOM 447 N GLY A 57 -3.659 -7.397 12.686 1.00 0.00 N ATOM 448 CA GLY A 57 -2.425 -7.219 13.433 1.00 0.00 C ATOM 449 C GLY A 57 -1.150 -7.220 12.595 1.00 0.00 C ATOM 450 O GLY A 57 -0.073 -7.184 13.194 1.00 0.00 O ATOM 0 H GLY A 57 -3.845 -8.371 12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.482 -6.276 13.977 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.352 -8.013 14.177 1.00 0.00 H new ATOM 454 N GLN A 58 -1.205 -7.312 11.259 1.00 0.00 N ATOM 455 CA GLN A 58 -0.021 -7.707 10.484 1.00 0.00 C ATOM 456 C GLN A 58 0.474 -6.589 9.568 1.00 0.00 C ATOM 457 O GLN A 58 -0.178 -5.553 9.431 1.00 0.00 O ATOM 458 CB GLN A 58 -0.271 -9.021 9.731 1.00 0.00 C ATOM 459 CG GLN A 58 -1.301 -8.888 8.609 1.00 0.00 C ATOM 460 CD GLN A 58 -0.961 -9.629 7.331 1.00 0.00 C ATOM 461 OE1 GLN A 58 -0.040 -10.431 7.245 1.00 0.00 O ATOM 462 NE2 GLN A 58 -1.776 -9.450 6.308 1.00 0.00 N ATOM 0 H GLN A 58 -2.038 -7.123 10.702 1.00 0.00 H new ATOM 0 HA GLN A 58 0.789 -7.889 11.191 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.670 -9.376 9.311 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.610 -9.778 10.438 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.262 -9.249 8.975 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.426 -7.831 8.375 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.544 -8.782 6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.638 -9.980 5.447 1.00 0.00 H new ATOM 471 N ARG A 59 1.627 -6.814 8.925 1.00 0.00 N ATOM 472 CA ARG A 59 2.204 -5.900 7.946 1.00 0.00 C ATOM 473 C ARG A 59 1.841 -6.405 6.567 1.00 0.00 C ATOM 474 O ARG A 59 1.904 -7.612 6.323 1.00 0.00 O ATOM 475 CB ARG A 59 3.725 -5.721 8.126 1.00 0.00 C ATOM 476 CG ARG A 59 4.612 -6.807 7.485 1.00 0.00 C ATOM 477 CD ARG A 59 6.106 -6.612 7.781 1.00 0.00 C ATOM 478 NE ARG A 59 6.452 -7.035 9.145 1.00 0.00 N ATOM 479 CZ ARG A 59 6.379 -6.280 10.245 1.00 0.00 C ATOM 480 NH1 ARG A 59 6.292 -4.959 10.150 1.00 0.00 N ATOM 481 NH2 ARG A 59 6.352 -6.882 11.425 1.00 0.00 N ATOM 0 H ARG A 59 2.190 -7.651 9.077 1.00 0.00 H new ATOM 0 HA ARG A 59 1.790 -4.902 8.092 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.009 -4.755 7.709 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.943 -5.685 9.193 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.300 -7.786 7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.458 -6.805 6.406 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.696 -7.182 7.063 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.369 -5.563 7.648 1.00 0.00 H new ATOM 0 HE ARG A 59 6.778 -7.994 9.263 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.280 -4.513 9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.237 -4.390 10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.387 -7.900 11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.296 -6.327 12.279 1.00 0.00 H new ATOM 495 N LEU A 60 1.415 -5.520 5.675 1.00 0.00 N ATOM 496 CA LEU A 60 1.003 -5.898 4.340 1.00 0.00 C ATOM 497 C LEU A 60 1.077 -4.723 3.387 1.00 0.00 C ATOM 498 O LEU A 60 1.349 -3.588 3.778 1.00 0.00 O ATOM 499 CB LEU A 60 -0.397 -6.549 4.335 1.00 0.00 C ATOM 500 CG LEU A 60 -1.580 -5.903 5.063 1.00 0.00 C ATOM 501 CD1 LEU A 60 -1.411 -5.924 6.561 1.00 0.00 C ATOM 502 CD2 LEU A 60 -2.026 -4.535 4.570 1.00 0.00 C ATOM 0 H LEU A 60 1.347 -4.520 5.862 1.00 0.00 H new ATOM 0 HA LEU A 60 1.705 -6.652 3.985 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.690 -6.663 3.291 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.282 -7.552 4.745 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.410 -6.554 4.790 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.275 -5.455 7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.327 -6.955 6.903 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.508 -5.377 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.870 -4.190 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.202 -3.828 4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.327 -4.605 3.525 1.00 0.00 H new ATOM 514 N ARG A 61 0.816 -5.010 2.114 1.00 0.00 N ATOM 515 CA ARG A 61 0.687 -4.039 1.048 1.00 0.00 C ATOM 516 C ARG A 61 -0.572 -4.322 0.244 1.00 0.00 C ATOM 517 O ARG A 61 -1.039 -5.462 0.188 1.00 0.00 O ATOM 518 CB ARG A 61 1.949 -3.978 0.164 1.00 0.00 C ATOM 519 CG ARG A 61 2.743 -5.271 0.008 1.00 0.00 C ATOM 520 CD ARG A 61 3.888 -5.017 -0.978 1.00 0.00 C ATOM 521 NE ARG A 61 4.548 -6.267 -1.367 1.00 0.00 N ATOM 522 CZ ARG A 61 5.692 -6.348 -2.045 1.00 0.00 C ATOM 523 NH1 ARG A 61 6.390 -5.250 -2.305 1.00 0.00 N ATOM 524 NH2 ARG A 61 6.127 -7.525 -2.479 1.00 0.00 N ATOM 0 H ARG A 61 0.684 -5.968 1.791 1.00 0.00 H new ATOM 0 HA ARG A 61 0.591 -3.048 1.491 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.652 -3.640 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.614 -3.218 0.574 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.137 -5.593 0.972 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.098 -6.071 -0.357 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.501 -4.517 -1.866 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.617 -4.345 -0.526 1.00 0.00 H new ATOM 0 HE ARG A 61 4.097 -7.141 -1.098 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.051 -4.343 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.266 -5.313 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 61 5.585 -8.369 -2.293 1.00 0.00 H new ATOM 0 HH22 ARG A 61 7.003 -7.585 -2.998 1.00 0.00 H new ATOM 538 N VAL A 62 -1.101 -3.265 -0.361 1.00 0.00 N ATOM 539 CA VAL A 62 -2.381 -3.187 -1.045 1.00 0.00 C ATOM 540 C VAL A 62 -2.176 -2.383 -2.324 1.00 0.00 C ATOM 541 O VAL A 62 -1.506 -1.361 -2.246 1.00 0.00 O ATOM 542 CB VAL A 62 -3.411 -2.497 -0.133 1.00 0.00 C ATOM 543 CG1 VAL A 62 -4.768 -2.370 -0.829 1.00 0.00 C ATOM 544 CG2 VAL A 62 -3.600 -3.277 1.168 1.00 0.00 C ATOM 0 H VAL A 62 -0.606 -2.373 -0.387 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.754 -4.182 -1.287 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.024 -1.503 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.475 -1.879 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.657 -1.779 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.140 -3.362 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.333 -2.768 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.953 -4.283 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.649 -3.337 1.698 1.00 0.00 H new ATOM 554 N GLY A 63 -2.751 -2.761 -3.469 1.00 0.00 N ATOM 555 CA GLY A 63 -2.564 -2.033 -4.728 1.00 0.00 C ATOM 556 C GLY A 63 -3.878 -1.611 -5.339 1.00 0.00 C ATOM 557 O GLY A 63 -4.677 -2.477 -5.692 1.00 0.00 O ATOM 0 H GLY A 63 -3.357 -3.577 -3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.948 -1.152 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.022 -2.663 -5.434 1.00 0.00 H new ATOM 561 N GLY A 64 -4.108 -0.306 -5.453 1.00 0.00 N ATOM 562 CA GLY A 64 -5.378 0.249 -5.870 1.00 0.00 C ATOM 563 C GLY A 64 -5.156 1.496 -6.702 1.00 0.00 C ATOM 564 O GLY A 64 -4.078 2.096 -6.691 1.00 0.00 O ATOM 0 H GLY A 64 -3.401 0.402 -5.253 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.933 -0.489 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.983 0.489 -4.996 1.00 0.00 H new ATOM 568 N MET A 65 -6.211 1.909 -7.384 1.00 0.00 N ATOM 569 CA MET A 65 -6.348 3.199 -8.014 1.00 0.00 C ATOM 570 C MET A 65 -6.732 4.207 -6.934 1.00 0.00 C ATOM 571 O MET A 65 -7.690 3.985 -6.203 1.00 0.00 O ATOM 572 CB MET A 65 -7.424 3.076 -9.089 1.00 0.00 C ATOM 573 CG MET A 65 -7.341 4.193 -10.127 1.00 0.00 C ATOM 574 SD MET A 65 -8.126 3.750 -11.698 1.00 0.00 S ATOM 575 CE MET A 65 -6.973 2.486 -12.290 1.00 0.00 C ATOM 0 H MET A 65 -7.033 1.320 -7.516 1.00 0.00 H new ATOM 0 HA MET A 65 -5.425 3.536 -8.485 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.326 2.112 -9.588 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.407 3.093 -8.619 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.816 5.089 -9.728 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.294 4.440 -10.306 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.040 2.412 -13.375 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.957 2.759 -12.007 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.228 1.524 -11.845 1.00 0.00 H new ATOM 585 N VAL A 66 -5.968 5.274 -6.752 1.00 0.00 N ATOM 586 CA VAL A 66 -6.265 6.334 -5.804 1.00 0.00 C ATOM 587 C VAL A 66 -7.562 7.014 -6.248 1.00 0.00 C ATOM 588 O VAL A 66 -7.634 7.480 -7.383 1.00 0.00 O ATOM 589 CB VAL A 66 -5.082 7.315 -5.820 1.00 0.00 C ATOM 590 CG1 VAL A 66 -5.328 8.526 -4.922 1.00 0.00 C ATOM 591 CG2 VAL A 66 -3.788 6.633 -5.365 1.00 0.00 C ATOM 0 H VAL A 66 -5.104 5.429 -7.272 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.400 5.958 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.983 7.650 -6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.466 9.192 -4.965 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.215 9.059 -5.264 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.479 8.193 -3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.970 7.353 -5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.913 6.257 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.559 5.803 -6.034 1.00 0.00 H new ATOM 601 N MET A 67 -8.565 7.105 -5.369 1.00 0.00 N ATOM 602 CA MET A 67 -9.762 7.909 -5.604 1.00 0.00 C ATOM 603 C MET A 67 -9.380 9.353 -5.978 1.00 0.00 C ATOM 604 O MET A 67 -8.666 10.012 -5.210 1.00 0.00 O ATOM 605 CB MET A 67 -10.647 7.884 -4.355 1.00 0.00 C ATOM 606 CG MET A 67 -11.530 6.643 -4.280 1.00 0.00 C ATOM 607 SD MET A 67 -12.775 6.725 -2.978 1.00 0.00 S ATOM 608 CE MET A 67 -13.446 5.059 -3.153 1.00 0.00 C ATOM 0 H MET A 67 -8.567 6.620 -4.472 1.00 0.00 H new ATOM 0 HA MET A 67 -10.319 7.486 -6.440 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.016 7.929 -3.467 1.00 0.00 H new ATOM 0 HB3 MET A 67 -11.277 8.774 -4.344 1.00 0.00 H new ATOM 0 HG2 MET A 67 -12.028 6.502 -5.239 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.901 5.768 -4.116 1.00 0.00 H new ATOM 0 HE1 MET A 67 -14.230 4.903 -2.412 1.00 0.00 H new ATOM 0 HE2 MET A 67 -13.862 4.938 -4.153 1.00 0.00 H new ATOM 0 HE3 MET A 67 -12.651 4.329 -3.000 1.00 0.00 H new ATOM 618 N PRO A 68 -9.799 9.845 -7.156 1.00 0.00 N ATOM 619 CA PRO A 68 -9.551 11.201 -7.626 1.00 0.00 C ATOM 620 C PRO A 68 -10.434 12.178 -6.837 1.00 0.00 C ATOM 621 O PRO A 68 -11.593 12.399 -7.185 1.00 0.00 O ATOM 622 CB PRO A 68 -9.867 11.162 -9.126 1.00 0.00 C ATOM 623 CG PRO A 68 -10.921 10.061 -9.248 1.00 0.00 C ATOM 624 CD PRO A 68 -10.591 9.105 -8.125 1.00 0.00 C ATOM 0 HA PRO A 68 -8.528 11.545 -7.474 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -10.247 12.120 -9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.979 10.933 -9.716 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.929 10.462 -9.146 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.871 9.568 -10.219 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -11.502 8.721 -7.666 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -10.036 8.245 -8.501 1.00 0.00 H new ATOM 632 N GLY A 69 -9.918 12.714 -5.732 1.00 0.00 N ATOM 633 CA GLY A 69 -10.701 13.477 -4.763 1.00 0.00 C ATOM 634 C GLY A 69 -10.971 12.615 -3.540 1.00 0.00 C ATOM 635 O GLY A 69 -12.117 12.262 -3.261 1.00 0.00 O ATOM 0 H GLY A 69 -8.933 12.629 -5.482 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.162 14.379 -4.474 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.642 13.797 -5.211 1.00 0.00 H new ATOM 639 N SER A 70 -9.889 12.233 -2.866 1.00 0.00 N ATOM 640 CA SER A 70 -9.843 11.570 -1.571 1.00 0.00 C ATOM 641 C SER A 70 -8.509 11.832 -0.866 1.00 0.00 C ATOM 642 O SER A 70 -8.442 11.668 0.348 1.00 0.00 O ATOM 643 CB SER A 70 -9.956 10.067 -1.763 1.00 0.00 C ATOM 644 OG SER A 70 -11.244 9.571 -1.590 1.00 0.00 O ATOM 0 H SER A 70 -8.954 12.392 -3.241 1.00 0.00 H new ATOM 0 HA SER A 70 -10.666 11.960 -0.973 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.611 9.812 -2.765 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.288 9.570 -1.059 1.00 0.00 H new ATOM 0 HG SER A 70 -11.888 10.180 -2.008 1.00 0.00 H new ATOM 650 N VAL A 71 -7.429 12.163 -1.589 1.00 0.00 N ATOM 651 CA VAL A 71 -6.137 12.465 -1.004 1.00 0.00 C ATOM 652 C VAL A 71 -6.241 13.756 -0.181 1.00 0.00 C ATOM 653 O VAL A 71 -6.091 14.859 -0.703 1.00 0.00 O ATOM 654 CB VAL A 71 -5.050 12.508 -2.100 1.00 0.00 C ATOM 655 CG1 VAL A 71 -3.662 12.457 -1.462 1.00 0.00 C ATOM 656 CG2 VAL A 71 -5.128 11.326 -3.079 1.00 0.00 C ATOM 0 H VAL A 71 -7.440 12.226 -2.607 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.833 11.676 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.221 13.435 -2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.902 12.488 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.535 13.312 -0.798 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.558 11.535 -0.890 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.337 11.417 -3.823 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.005 10.391 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.097 11.330 -3.578 1.00 0.00 H new ATOM 666 N GLN A 72 -6.503 13.604 1.113 1.00 0.00 N ATOM 667 CA GLN A 72 -6.515 14.622 2.147 1.00 0.00 C ATOM 668 C GLN A 72 -5.059 14.848 2.555 1.00 0.00 C ATOM 669 O GLN A 72 -4.596 14.341 3.583 1.00 0.00 O ATOM 670 CB GLN A 72 -7.399 14.159 3.331 1.00 0.00 C ATOM 671 CG GLN A 72 -8.747 13.580 2.880 1.00 0.00 C ATOM 672 CD GLN A 72 -9.923 14.032 3.733 1.00 0.00 C ATOM 673 OE1 GLN A 72 -10.463 15.123 3.544 1.00 0.00 O ATOM 674 NE2 GLN A 72 -10.381 13.209 4.662 1.00 0.00 N ATOM 0 H GLN A 72 -6.731 12.685 1.493 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.944 15.561 1.796 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.861 13.406 3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.577 15.003 3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.928 13.869 1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.691 12.492 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -9.929 12.307 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -11.187 13.476 5.228 1.00 0.00 H new ATOM 683 N ARG A 73 -4.285 15.512 1.697 1.00 0.00 N ATOM 684 CA ARG A 73 -2.932 15.937 2.020 1.00 0.00 C ATOM 685 C ARG A 73 -3.083 17.058 3.028 1.00 0.00 C ATOM 686 O ARG A 73 -3.954 17.913 2.872 1.00 0.00 O ATOM 687 CB ARG A 73 -2.177 16.455 0.788 1.00 0.00 C ATOM 688 CG ARG A 73 -2.303 15.636 -0.504 1.00 0.00 C ATOM 689 CD ARG A 73 -1.579 16.306 -1.681 1.00 0.00 C ATOM 690 NE ARG A 73 -0.274 15.694 -1.952 1.00 0.00 N ATOM 691 CZ ARG A 73 0.867 15.917 -1.304 1.00 0.00 C ATOM 692 NH1 ARG A 73 0.958 16.894 -0.411 1.00 0.00 N ATOM 693 NH2 ARG A 73 1.902 15.140 -1.575 1.00 0.00 N ATOM 0 H ARG A 73 -4.584 15.769 0.756 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.356 15.096 2.405 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.522 17.468 0.581 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.120 16.524 1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.890 14.640 -0.344 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.357 15.508 -0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.202 16.239 -2.573 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.443 17.366 -1.466 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.237 15.025 -2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.149 17.483 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.837 17.056 0.080 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.813 14.394 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.790 15.287 -1.094 1.00 0.00 H new ATOM 758 N LEU A 78 3.016 16.722 6.498 1.00 0.00 N ATOM 759 CA LEU A 78 3.222 15.596 5.588 1.00 0.00 C ATOM 760 C LEU A 78 2.215 14.469 5.831 1.00 0.00 C ATOM 761 O LEU A 78 2.207 13.499 5.080 1.00 0.00 O ATOM 762 CB LEU A 78 4.675 15.095 5.620 1.00 0.00 C ATOM 763 CG LEU A 78 5.644 15.963 4.787 1.00 0.00 C ATOM 764 CD1 LEU A 78 5.923 17.345 5.388 1.00 0.00 C ATOM 765 CD2 LEU A 78 6.981 15.246 4.638 1.00 0.00 C ATOM 0 HA LEU A 78 3.038 15.964 4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.020 15.070 6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.706 14.071 5.248 1.00 0.00 H new ATOM 0 HG LEU A 78 5.147 16.113 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.612 17.890 4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.989 17.900 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.367 17.229 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.661 15.862 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.412 15.070 5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.828 14.292 4.134 1.00 0.00 H new ATOM 777 N LYS A 79 1.312 14.572 6.817 1.00 0.00 N ATOM 778 CA LYS A 79 0.162 13.663 6.878 1.00 0.00 C ATOM 779 C LYS A 79 -0.569 13.733 5.545 1.00 0.00 C ATOM 780 O LYS A 79 -0.697 14.809 4.949 1.00 0.00 O ATOM 781 CB LYS A 79 -0.783 14.000 8.042 1.00 0.00 C ATOM 782 CG LYS A 79 -0.959 12.849 9.050 1.00 0.00 C ATOM 783 CD LYS A 79 -1.803 11.661 8.557 1.00 0.00 C ATOM 784 CE LYS A 79 -2.615 10.962 9.662 1.00 0.00 C ATOM 785 NZ LYS A 79 -1.799 10.059 10.509 1.00 0.00 N ATOM 0 H LYS A 79 1.354 15.261 7.568 1.00 0.00 H new ATOM 0 HA LYS A 79 0.519 12.649 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.401 14.875 8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.759 14.271 7.639 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.028 12.480 9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.418 13.248 9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.488 12.012 7.785 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.143 10.930 8.089 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.081 11.718 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.421 10.389 9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.275 9.915 11.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.685 9.143 10.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.864 10.484 10.669 1.00 0.00 H new ATOM 799 N VAL A 80 -1.019 12.590 5.064 1.00 0.00 N ATOM 800 CA VAL A 80 -1.833 12.484 3.877 1.00 0.00 C ATOM 801 C VAL A 80 -2.634 11.199 3.997 1.00 0.00 C ATOM 802 O VAL A 80 -2.097 10.103 4.129 1.00 0.00 O ATOM 803 CB VAL A 80 -1.003 12.620 2.592 1.00 0.00 C ATOM 804 CG1 VAL A 80 0.166 11.656 2.468 1.00 0.00 C ATOM 805 CG2 VAL A 80 -1.901 12.471 1.368 1.00 0.00 C ATOM 0 H VAL A 80 -0.822 11.690 5.501 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.534 13.315 3.798 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.565 13.617 2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.686 11.834 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.855 11.811 3.298 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.204 10.631 2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.302 12.569 0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.377 11.491 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.667 13.247 1.382 1.00 0.00 H new ATOM 815 N THR A 81 -3.942 11.339 3.951 1.00 0.00 N ATOM 816 CA THR A 81 -4.887 10.257 4.132 1.00 0.00 C ATOM 817 C THR A 81 -5.631 10.145 2.810 1.00 0.00 C ATOM 818 O THR A 81 -6.019 11.169 2.260 1.00 0.00 O ATOM 819 CB THR A 81 -5.773 10.616 5.333 1.00 0.00 C ATOM 820 OG1 THR A 81 -4.954 10.904 6.454 1.00 0.00 O ATOM 821 CG2 THR A 81 -6.693 9.468 5.717 1.00 0.00 C ATOM 0 H THR A 81 -4.392 12.239 3.781 1.00 0.00 H new ATOM 0 HA THR A 81 -4.445 9.287 4.358 1.00 0.00 H new ATOM 0 HB THR A 81 -6.376 11.478 5.047 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.519 11.135 7.221 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.304 9.761 6.571 1.00 0.00 H new ATOM 0 HG22 THR A 81 -7.340 9.223 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.095 8.595 5.981 1.00 0.00 H new ATOM 829 N PHE A 82 -5.743 8.957 2.226 1.00 0.00 N ATOM 830 CA PHE A 82 -6.409 8.770 0.943 1.00 0.00 C ATOM 831 C PHE A 82 -7.246 7.499 0.941 1.00 0.00 C ATOM 832 O PHE A 82 -7.219 6.724 1.896 1.00 0.00 O ATOM 833 CB PHE A 82 -5.388 8.877 -0.206 1.00 0.00 C ATOM 834 CG PHE A 82 -4.290 7.846 -0.405 1.00 0.00 C ATOM 835 CD1 PHE A 82 -3.045 8.023 0.239 1.00 0.00 C ATOM 836 CD2 PHE A 82 -4.451 6.771 -1.311 1.00 0.00 C ATOM 837 CE1 PHE A 82 -1.957 7.195 -0.078 1.00 0.00 C ATOM 838 CE2 PHE A 82 -3.385 5.891 -1.548 1.00 0.00 C ATOM 839 CZ PHE A 82 -2.130 6.117 -0.964 1.00 0.00 C ATOM 0 H PHE A 82 -5.374 8.096 2.630 1.00 0.00 H new ATOM 0 HA PHE A 82 -7.127 9.573 0.775 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.960 8.910 -1.133 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.896 9.844 -0.101 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.930 8.800 0.980 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -5.393 6.628 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -0.988 7.386 0.358 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.532 5.032 -2.186 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.300 5.466 -1.194 1.00 0.00 H new ATOM 849 N THR A 83 -7.978 7.268 -0.144 1.00 0.00 N ATOM 850 CA THR A 83 -8.718 6.038 -0.365 1.00 0.00 C ATOM 851 C THR A 83 -8.239 5.466 -1.700 1.00 0.00 C ATOM 852 O THR A 83 -7.945 6.224 -2.639 1.00 0.00 O ATOM 853 CB THR A 83 -10.231 6.323 -0.293 1.00 0.00 C ATOM 854 OG1 THR A 83 -10.577 6.864 0.974 1.00 0.00 O ATOM 855 CG2 THR A 83 -11.076 5.060 -0.481 1.00 0.00 C ATOM 0 H THR A 83 -8.073 7.942 -0.904 1.00 0.00 H new ATOM 0 HA THR A 83 -8.537 5.287 0.404 1.00 0.00 H new ATOM 0 HB THR A 83 -10.439 7.026 -1.100 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.541 7.041 1.002 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.133 5.317 -0.421 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.864 4.622 -1.456 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.833 4.340 0.301 1.00 0.00 H new ATOM 863 N ILE A 84 -8.131 4.141 -1.779 1.00 0.00 N ATOM 864 CA ILE A 84 -7.728 3.402 -2.965 1.00 0.00 C ATOM 865 C ILE A 84 -8.861 2.430 -3.274 1.00 0.00 C ATOM 866 O ILE A 84 -9.398 1.816 -2.361 1.00 0.00 O ATOM 867 CB ILE A 84 -6.363 2.679 -2.785 1.00 0.00 C ATOM 868 CG1 ILE A 84 -5.763 2.693 -1.372 1.00 0.00 C ATOM 869 CG2 ILE A 84 -5.353 3.254 -3.788 1.00 0.00 C ATOM 870 CD1 ILE A 84 -4.500 1.821 -1.291 1.00 0.00 C ATOM 0 H ILE A 84 -8.331 3.533 -0.985 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.565 4.083 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.575 1.626 -2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.519 3.717 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.503 2.332 -0.657 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.394 2.751 -3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.719 3.098 -4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.228 4.322 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.100 1.853 -0.277 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.751 0.792 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.752 2.199 -1.988 1.00 0.00 H new ATOM 882 N TYR A 85 -9.232 2.295 -4.540 1.00 0.00 N ATOM 883 CA TYR A 85 -10.299 1.437 -5.035 1.00 0.00 C ATOM 884 C TYR A 85 -9.754 0.621 -6.201 1.00 0.00 C ATOM 885 O TYR A 85 -8.588 0.778 -6.568 1.00 0.00 O ATOM 886 CB TYR A 85 -11.518 2.293 -5.429 1.00 0.00 C ATOM 887 CG TYR A 85 -11.323 3.145 -6.669 1.00 0.00 C ATOM 888 CD1 TYR A 85 -10.535 4.305 -6.611 1.00 0.00 C ATOM 889 CD2 TYR A 85 -11.885 2.750 -7.893 1.00 0.00 C ATOM 890 CE1 TYR A 85 -10.277 5.045 -7.775 1.00 0.00 C ATOM 891 CE2 TYR A 85 -11.639 3.487 -9.066 1.00 0.00 C ATOM 892 CZ TYR A 85 -10.833 4.649 -9.008 1.00 0.00 C ATOM 893 OH TYR A 85 -10.596 5.433 -10.093 1.00 0.00 O ATOM 0 H TYR A 85 -8.771 2.810 -5.290 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.638 0.746 -4.263 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.371 1.633 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.772 2.945 -4.593 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -10.125 4.630 -5.666 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -12.512 1.872 -7.935 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.649 5.922 -7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -12.063 3.167 -10.006 1.00 0.00 H new ATOM 0 HH TYR A 85 -9.885 5.033 -10.636 1.00 0.00 H new ATOM 903 N ASP A 86 -10.574 -0.237 -6.802 1.00 0.00 N ATOM 904 CA ASP A 86 -10.250 -0.780 -8.126 1.00 0.00 C ATOM 905 C ASP A 86 -11.534 -1.155 -8.872 1.00 0.00 C ATOM 906 O ASP A 86 -12.352 -0.270 -9.122 1.00 0.00 O ATOM 907 CB ASP A 86 -9.195 -1.911 -8.050 1.00 0.00 C ATOM 908 CG ASP A 86 -8.446 -2.092 -9.376 1.00 0.00 C ATOM 909 OD1 ASP A 86 -8.448 -1.173 -10.229 1.00 0.00 O ATOM 910 OD2 ASP A 86 -7.717 -3.095 -9.544 1.00 0.00 O ATOM 0 H ASP A 86 -11.453 -0.569 -6.406 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.766 -0.005 -8.721 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.480 -1.687 -7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.686 -2.846 -7.781 1.00 0.00 H new ATOM 915 N ALA A 87 -11.761 -2.430 -9.206 1.00 0.00 N ATOM 916 CA ALA A 87 -12.989 -2.901 -9.847 1.00 0.00 C ATOM 917 C ALA A 87 -13.937 -3.588 -8.854 1.00 0.00 C ATOM 918 O ALA A 87 -15.006 -4.065 -9.233 1.00 0.00 O ATOM 919 CB ALA A 87 -12.597 -3.906 -10.924 1.00 0.00 C ATOM 0 H ALA A 87 -11.084 -3.174 -9.035 1.00 0.00 H new ATOM 0 HA ALA A 87 -13.514 -2.041 -10.262 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.494 -4.276 -11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.951 -3.421 -11.656 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -12.065 -4.741 -10.467 1.00 0.00 H new ATOM 925 N GLU A 88 -13.524 -3.702 -7.597 1.00 0.00 N ATOM 926 CA GLU A 88 -14.006 -4.697 -6.652 1.00 0.00 C ATOM 927 C GLU A 88 -14.518 -3.958 -5.417 1.00 0.00 C ATOM 928 O GLU A 88 -15.731 -3.889 -5.207 1.00 0.00 O ATOM 929 CB GLU A 88 -12.918 -5.779 -6.402 1.00 0.00 C ATOM 930 CG GLU A 88 -11.483 -5.230 -6.243 1.00 0.00 C ATOM 931 CD GLU A 88 -10.344 -6.265 -6.248 1.00 0.00 C ATOM 932 OE1 GLU A 88 -10.258 -6.999 -7.263 1.00 0.00 O ATOM 933 OE2 GLU A 88 -9.480 -6.217 -5.334 1.00 0.00 O ATOM 0 H GLU A 88 -12.820 -3.082 -7.196 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.849 -5.269 -7.039 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.180 -6.337 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.932 -6.486 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.300 -4.518 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.433 -4.673 -5.307 1.00 0.00 H new ATOM 940 N GLY A 89 -13.633 -3.365 -4.622 1.00 0.00 N ATOM 941 CA GLY A 89 -13.961 -2.618 -3.418 1.00 0.00 C ATOM 942 C GLY A 89 -13.004 -1.441 -3.272 1.00 0.00 C ATOM 943 O GLY A 89 -12.276 -1.119 -4.219 1.00 0.00 O ATOM 0 H GLY A 89 -12.631 -3.394 -4.808 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -14.989 -2.260 -3.469 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.892 -3.267 -2.545 1.00 0.00 H new ATOM 947 N SER A 90 -13.007 -0.791 -2.107 1.00 0.00 N ATOM 948 CA SER A 90 -12.066 0.271 -1.787 1.00 0.00 C ATOM 949 C SER A 90 -11.634 0.221 -0.311 1.00 0.00 C ATOM 950 O SER A 90 -12.365 -0.308 0.530 1.00 0.00 O ATOM 951 CB SER A 90 -12.674 1.600 -2.234 1.00 0.00 C ATOM 952 OG SER A 90 -13.871 1.963 -1.569 1.00 0.00 O ATOM 0 H SER A 90 -13.669 -0.992 -1.357 1.00 0.00 H new ATOM 0 HA SER A 90 -11.132 0.140 -2.333 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.938 2.389 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.871 1.550 -3.305 1.00 0.00 H new ATOM 0 HG SER A 90 -14.274 2.735 -2.018 1.00 0.00 H new ATOM 958 N VAL A 91 -10.468 0.791 0.006 1.00 0.00 N ATOM 959 CA VAL A 91 -9.783 0.725 1.297 1.00 0.00 C ATOM 960 C VAL A 91 -9.220 2.094 1.646 1.00 0.00 C ATOM 961 O VAL A 91 -8.865 2.874 0.757 1.00 0.00 O ATOM 962 CB VAL A 91 -8.663 -0.340 1.263 1.00 0.00 C ATOM 963 CG1 VAL A 91 -9.270 -1.733 1.120 1.00 0.00 C ATOM 964 CG2 VAL A 91 -7.625 -0.132 0.142 1.00 0.00 C ATOM 0 H VAL A 91 -9.947 1.344 -0.674 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.497 0.433 2.067 1.00 0.00 H new ATOM 0 HB VAL A 91 -8.131 -0.235 2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.473 -2.476 1.097 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.928 -1.932 1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.843 -1.787 0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -6.875 -0.922 0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.124 -0.163 -0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.141 0.836 0.270 1.00 0.00 H new ATOM 974 N ASP A 92 -9.179 2.402 2.939 1.00 0.00 N ATOM 975 CA ASP A 92 -8.614 3.646 3.448 1.00 0.00 C ATOM 976 C ASP A 92 -7.105 3.477 3.566 1.00 0.00 C ATOM 977 O ASP A 92 -6.634 2.366 3.842 1.00 0.00 O ATOM 978 CB ASP A 92 -9.141 3.951 4.858 1.00 0.00 C ATOM 979 CG ASP A 92 -10.533 4.556 4.888 1.00 0.00 C ATOM 980 OD1 ASP A 92 -11.504 3.834 4.580 1.00 0.00 O ATOM 981 OD2 ASP A 92 -10.658 5.737 5.280 1.00 0.00 O ATOM 0 H ASP A 92 -9.541 1.789 3.669 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.888 4.452 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.146 3.029 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.450 4.634 5.351 1.00 0.00 H new ATOM 986 N VAL A 93 -6.342 4.570 3.488 1.00 0.00 N ATOM 987 CA VAL A 93 -4.960 4.595 3.926 1.00 0.00 C ATOM 988 C VAL A 93 -4.695 5.871 4.734 1.00 0.00 C ATOM 989 O VAL A 93 -5.185 6.942 4.371 1.00 0.00 O ATOM 990 CB VAL A 93 -4.033 4.462 2.709 1.00 0.00 C ATOM 991 CG1 VAL A 93 -4.467 3.355 1.719 1.00 0.00 C ATOM 992 CG2 VAL A 93 -3.874 5.746 1.953 1.00 0.00 C ATOM 0 H VAL A 93 -6.674 5.460 3.117 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.755 3.751 4.584 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.073 4.181 3.143 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.767 3.318 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.474 2.392 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.467 3.574 1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -3.208 5.589 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.847 6.079 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.451 6.505 2.611 1.00 0.00 H new ATOM 1002 N SER A 94 -3.838 5.778 5.748 1.00 0.00 N ATOM 1003 CA SER A 94 -3.192 6.907 6.396 1.00 0.00 C ATOM 1004 C SER A 94 -1.735 6.775 6.051 1.00 0.00 C ATOM 1005 O SER A 94 -1.144 5.724 6.284 1.00 0.00 O ATOM 1006 CB SER A 94 -3.321 6.851 7.915 1.00 0.00 C ATOM 1007 OG SER A 94 -3.172 8.130 8.496 1.00 0.00 O ATOM 0 H SER A 94 -3.568 4.881 6.152 1.00 0.00 H new ATOM 0 HA SER A 94 -3.648 7.840 6.064 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.294 6.440 8.183 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.567 6.176 8.320 1.00 0.00 H new ATOM 0 HG SER A 94 -3.262 8.060 9.469 1.00 0.00 H new ATOM 1013 N TYR A 95 -1.169 7.823 5.494 1.00 0.00 N ATOM 1014 CA TYR A 95 0.244 7.965 5.234 1.00 0.00 C ATOM 1015 C TYR A 95 0.737 9.240 5.904 1.00 0.00 C ATOM 1016 O TYR A 95 -0.027 10.165 6.174 1.00 0.00 O ATOM 1017 CB TYR A 95 0.501 8.000 3.719 1.00 0.00 C ATOM 1018 CG TYR A 95 1.968 8.064 3.340 1.00 0.00 C ATOM 1019 CD1 TYR A 95 2.891 7.228 3.981 1.00 0.00 C ATOM 1020 CD2 TYR A 95 2.425 9.009 2.410 1.00 0.00 C ATOM 1021 CE1 TYR A 95 4.266 7.376 3.733 1.00 0.00 C ATOM 1022 CE2 TYR A 95 3.786 9.095 2.072 1.00 0.00 C ATOM 1023 CZ TYR A 95 4.717 8.301 2.770 1.00 0.00 C ATOM 1024 OH TYR A 95 6.047 8.502 2.582 1.00 0.00 O ATOM 0 H TYR A 95 -1.708 8.636 5.197 1.00 0.00 H new ATOM 0 HA TYR A 95 0.789 7.114 5.642 1.00 0.00 H new ATOM 0 HB2 TYR A 95 0.058 7.113 3.266 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -0.011 8.864 3.295 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.545 6.469 4.667 1.00 0.00 H new ATOM 0 HD2 TYR A 95 1.719 9.682 1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.979 6.779 4.282 1.00 0.00 H new ATOM 0 HE2 TYR A 95 4.114 9.761 1.288 1.00 0.00 H new ATOM 0 HH TYR A 95 6.180 9.172 1.880 1.00 0.00 H new ATOM 1034 N GLU A 96 2.035 9.315 6.143 1.00 0.00 N ATOM 1035 CA GLU A 96 2.692 10.461 6.720 1.00 0.00 C ATOM 1036 C GLU A 96 4.028 10.543 5.999 1.00 0.00 C ATOM 1037 O GLU A 96 4.938 9.750 6.242 1.00 0.00 O ATOM 1038 CB GLU A 96 2.746 10.298 8.245 1.00 0.00 C ATOM 1039 CG GLU A 96 3.353 11.520 8.958 1.00 0.00 C ATOM 1040 CD GLU A 96 4.698 11.274 9.653 1.00 0.00 C ATOM 1041 OE1 GLU A 96 4.979 10.146 10.119 1.00 0.00 O ATOM 1042 OE2 GLU A 96 5.453 12.261 9.819 1.00 0.00 O ATOM 0 H GLU A 96 2.676 8.551 5.931 1.00 0.00 H new ATOM 0 HA GLU A 96 2.177 11.413 6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 96 1.738 10.127 8.623 1.00 0.00 H new ATOM 0 HB3 GLU A 96 3.333 9.413 8.490 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.481 12.319 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 96 2.640 11.878 9.700 1.00 0.00 H new ATOM 1049 N GLY A 97 4.083 11.424 5.006 1.00 0.00 N ATOM 1050 CA GLY A 97 5.222 11.608 4.133 1.00 0.00 C ATOM 1051 C GLY A 97 4.825 12.412 2.903 1.00 0.00 C ATOM 1052 O GLY A 97 3.647 12.666 2.645 1.00 0.00 O ATOM 0 H GLY A 97 3.307 12.047 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.020 12.122 4.669 1.00 0.00 H new ATOM 0 HA3 GLY A 97 5.616 10.638 3.829 1.00 0.00 H new ATOM 1056 N ILE A 98 5.831 12.809 2.137 1.00 0.00 N ATOM 1057 CA ILE A 98 5.728 13.828 1.091 1.00 0.00 C ATOM 1058 C ILE A 98 5.017 13.301 -0.157 1.00 0.00 C ATOM 1059 O ILE A 98 4.526 14.085 -0.972 1.00 0.00 O ATOM 1060 CB ILE A 98 7.141 14.385 0.786 1.00 0.00 C ATOM 1061 CG1 ILE A 98 7.142 15.705 -0.010 1.00 0.00 C ATOM 1062 CG2 ILE A 98 8.016 13.351 0.055 1.00 0.00 C ATOM 1063 CD1 ILE A 98 6.514 16.868 0.763 1.00 0.00 C ATOM 0 H ILE A 98 6.771 12.422 2.225 1.00 0.00 H new ATOM 0 HA ILE A 98 5.105 14.647 1.450 1.00 0.00 H new ATOM 0 HB ILE A 98 7.564 14.601 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 98 8.167 15.963 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.599 15.561 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.999 13.780 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 98 8.125 12.462 0.677 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.545 13.078 -0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.544 17.770 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.479 16.627 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.072 17.036 1.684 1.00 0.00 H new ATOM 1075 N LEU A 99 4.936 11.968 -0.261 1.00 0.00 N ATOM 1076 CA LEU A 99 4.348 11.188 -1.341 1.00 0.00 C ATOM 1077 C LEU A 99 5.274 11.244 -2.576 1.00 0.00 C ATOM 1078 O LEU A 99 5.846 12.297 -2.874 1.00 0.00 O ATOM 1079 CB LEU A 99 2.896 11.665 -1.557 1.00 0.00 C ATOM 1080 CG LEU A 99 1.833 10.623 -1.942 1.00 0.00 C ATOM 1081 CD1 LEU A 99 1.911 9.285 -1.192 1.00 0.00 C ATOM 1082 CD2 LEU A 99 0.462 11.235 -1.618 1.00 0.00 C ATOM 0 H LEU A 99 5.312 11.365 0.471 1.00 0.00 H new ATOM 0 HA LEU A 99 4.273 10.127 -1.103 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.567 12.152 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.910 12.428 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 99 2.000 10.396 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.116 8.626 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.878 8.819 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 99 1.794 9.460 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.324 10.525 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.408 11.463 -0.554 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.327 12.151 -2.193 1.00 0.00 H new ATOM 1094 N PRO A 100 5.523 10.108 -3.257 1.00 0.00 N ATOM 1095 CA PRO A 100 6.457 10.072 -4.374 1.00 0.00 C ATOM 1096 C PRO A 100 5.914 10.940 -5.503 1.00 0.00 C ATOM 1097 O PRO A 100 4.699 11.019 -5.695 1.00 0.00 O ATOM 1098 CB PRO A 100 6.559 8.612 -4.832 1.00 0.00 C ATOM 1099 CG PRO A 100 5.537 7.838 -4.009 1.00 0.00 C ATOM 1100 CD PRO A 100 4.825 8.844 -3.122 1.00 0.00 C ATOM 0 HA PRO A 100 7.438 10.449 -4.087 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.349 8.522 -5.898 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.564 8.223 -4.671 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.827 7.327 -4.659 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.027 7.073 -3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.781 8.948 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.829 8.512 -2.084 1.00 0.00 H new ATOM 1108 N ASP A 101 6.797 11.505 -6.321 1.00 0.00 N ATOM 1109 CA ASP A 101 6.394 12.317 -7.479 1.00 0.00 C ATOM 1110 C ASP A 101 5.555 11.496 -8.451 1.00 0.00 C ATOM 1111 O ASP A 101 4.654 12.004 -9.116 1.00 0.00 O ATOM 1112 CB ASP A 101 7.630 12.880 -8.188 1.00 0.00 C ATOM 1113 CG ASP A 101 8.447 13.809 -7.290 1.00 0.00 C ATOM 1114 OD1 ASP A 101 7.872 14.469 -6.392 1.00 0.00 O ATOM 1115 OD2 ASP A 101 9.694 13.761 -7.405 1.00 0.00 O ATOM 0 H ASP A 101 7.807 11.418 -6.207 1.00 0.00 H new ATOM 0 HA ASP A 101 5.786 13.147 -7.120 1.00 0.00 H new ATOM 0 HB2 ASP A 101 8.260 12.056 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 101 7.317 13.424 -9.079 1.00 0.00 H new ATOM 1120 N LEU A 102 5.811 10.191 -8.470 1.00 0.00 N ATOM 1121 CA LEU A 102 5.096 9.210 -9.255 1.00 0.00 C ATOM 1122 C LEU A 102 3.601 9.190 -8.892 1.00 0.00 C ATOM 1123 O LEU A 102 2.807 9.029 -9.813 1.00 0.00 O ATOM 1124 CB LEU A 102 5.751 7.831 -9.042 1.00 0.00 C ATOM 1125 CG LEU A 102 7.056 7.513 -9.803 1.00 0.00 C ATOM 1126 CD1 LEU A 102 6.765 6.665 -11.046 1.00 0.00 C ATOM 1127 CD2 LEU A 102 7.927 8.713 -10.192 1.00 0.00 C ATOM 0 H LEU A 102 6.557 9.778 -7.911 1.00 0.00 H new ATOM 0 HA LEU A 102 5.156 9.474 -10.311 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.953 7.720 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.017 7.070 -9.309 1.00 0.00 H new ATOM 0 HG LEU A 102 7.650 6.959 -9.076 1.00 0.00 H new ATOM 0 HD11 LEU A 102 7.698 6.452 -11.568 1.00 0.00 H new ATOM 0 HD12 LEU A 102 6.295 5.728 -10.746 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.094 7.211 -11.710 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.814 8.363 -10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 102 7.359 9.380 -10.840 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.229 9.250 -9.293 1.00 0.00 H new ATOM 1139 N PHE A 103 3.212 9.340 -7.617 1.00 0.00 N ATOM 1140 CA PHE A 103 1.838 9.195 -7.127 1.00 0.00 C ATOM 1141 C PHE A 103 0.944 10.303 -7.675 1.00 0.00 C ATOM 1142 O PHE A 103 1.312 11.480 -7.599 1.00 0.00 O ATOM 1143 CB PHE A 103 1.857 9.263 -5.595 1.00 0.00 C ATOM 1144 CG PHE A 103 0.500 9.211 -4.916 1.00 0.00 C ATOM 1145 CD1 PHE A 103 -0.297 10.375 -4.854 1.00 0.00 C ATOM 1146 CD2 PHE A 103 0.056 8.028 -4.296 1.00 0.00 C ATOM 1147 CE1 PHE A 103 -1.554 10.357 -4.223 1.00 0.00 C ATOM 1148 CE2 PHE A 103 -1.180 8.034 -3.630 1.00 0.00 C ATOM 1149 CZ PHE A 103 -1.986 9.182 -3.593 1.00 0.00 C ATOM 0 H PHE A 103 3.871 9.574 -6.874 1.00 0.00 H new ATOM 0 HA PHE A 103 1.438 8.238 -7.463 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.462 8.437 -5.221 1.00 0.00 H new ATOM 0 HB3 PHE A 103 2.357 10.185 -5.297 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.063 11.292 -5.297 1.00 0.00 H new ATOM 0 HD2 PHE A 103 0.656 7.131 -4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.179 11.238 -4.224 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.518 7.135 -3.135 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.936 9.160 -3.081 1.00 0.00 H new ATOM 1159 N ARG A 104 -0.259 9.956 -8.156 1.00 0.00 N ATOM 1160 CA ARG A 104 -1.284 10.916 -8.574 1.00 0.00 C ATOM 1161 C ARG A 104 -2.665 10.448 -8.143 1.00 0.00 C ATOM 1162 O ARG A 104 -2.868 9.296 -7.755 1.00 0.00 O ATOM 1163 CB ARG A 104 -1.283 11.169 -10.093 1.00 0.00 C ATOM 1164 CG ARG A 104 0.085 11.509 -10.682 1.00 0.00 C ATOM 1165 CD ARG A 104 0.135 12.865 -11.365 1.00 0.00 C ATOM 1166 NE ARG A 104 0.085 12.713 -12.820 1.00 0.00 N ATOM 1167 CZ ARG A 104 0.902 13.344 -13.663 1.00 0.00 C ATOM 1168 NH1 ARG A 104 1.578 14.422 -13.289 1.00 0.00 N ATOM 1169 NH2 ARG A 104 1.053 12.860 -14.884 1.00 0.00 N ATOM 0 H ARG A 104 -0.549 8.984 -8.266 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.039 11.857 -8.082 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -1.670 10.283 -10.596 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -1.971 11.985 -10.312 1.00 0.00 H new ATOM 0 HG2 ARG A 104 0.830 11.485 -9.886 1.00 0.00 H new ATOM 0 HG3 ARG A 104 0.363 10.739 -11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.701 13.478 -11.029 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.048 13.388 -11.080 1.00 0.00 H new ATOM 0 HE ARG A 104 -0.618 12.086 -13.212 1.00 0.00 H new ATOM 0 HH11 ARG A 104 1.478 14.783 -12.340 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.198 14.890 -13.950 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.549 12.019 -15.165 1.00 0.00 H new ATOM 0 HH22 ARG A 104 1.673 13.328 -15.545 1.00 0.00 H new ATOM 1183 N GLU A 105 -3.627 11.347 -8.280 1.00 0.00 N ATOM 1184 CA GLU A 105 -5.002 11.196 -7.840 1.00 0.00 C ATOM 1185 C GLU A 105 -5.795 10.570 -8.980 1.00 0.00 C ATOM 1186 O GLU A 105 -6.389 11.284 -9.790 1.00 0.00 O ATOM 1187 CB GLU A 105 -5.529 12.586 -7.420 1.00 0.00 C ATOM 1188 CG GLU A 105 -4.879 13.084 -6.120 1.00 0.00 C ATOM 1189 CD GLU A 105 -4.738 14.605 -6.050 1.00 0.00 C ATOM 1190 OE1 GLU A 105 -3.676 15.127 -6.460 1.00 0.00 O ATOM 1191 OE2 GLU A 105 -5.650 15.261 -5.500 1.00 0.00 O ATOM 0 H GLU A 105 -3.459 12.249 -8.725 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.097 10.539 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.336 13.302 -8.218 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -6.610 12.539 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -5.474 12.743 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -3.893 12.631 -6.020 1.00 0.00 H new ATOM 1198 N GLY A 106 -5.772 9.240 -9.094 1.00 0.00 N ATOM 1199 CA GLY A 106 -6.426 8.504 -10.173 1.00 0.00 C ATOM 1200 C GLY A 106 -5.534 7.467 -10.851 1.00 0.00 C ATOM 1201 O GLY A 106 -5.967 6.896 -11.848 1.00 0.00 O ATOM 0 H GLY A 106 -5.290 8.637 -8.427 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -7.308 8.003 -9.774 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.774 9.214 -10.923 1.00 0.00 H new ATOM 1205 N GLN A 107 -4.308 7.221 -10.372 1.00 0.00 N ATOM 1206 CA GLN A 107 -3.448 6.157 -10.901 1.00 0.00 C ATOM 1207 C GLN A 107 -3.377 4.987 -9.929 1.00 0.00 C ATOM 1208 O GLN A 107 -3.828 5.090 -8.786 1.00 0.00 O ATOM 1209 CB GLN A 107 -2.039 6.668 -11.223 1.00 0.00 C ATOM 1210 CG GLN A 107 -1.343 7.342 -10.045 1.00 0.00 C ATOM 1211 CD GLN A 107 0.150 7.375 -10.299 1.00 0.00 C ATOM 1212 OE1 GLN A 107 0.925 6.859 -9.505 1.00 0.00 O ATOM 1213 NE2 GLN A 107 0.574 7.927 -11.421 1.00 0.00 N ATOM 0 H GLN A 107 -3.886 7.752 -9.610 1.00 0.00 H new ATOM 0 HA GLN A 107 -3.896 5.814 -11.833 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -1.428 5.832 -11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -2.100 7.375 -12.050 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -1.724 8.355 -9.914 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -1.555 6.800 -9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -0.094 8.350 -12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 107 1.569 7.930 -11.643 1.00 0.00 H new ATOM 1222 N GLY A 108 -2.765 3.895 -10.387 1.00 0.00 N ATOM 1223 CA GLY A 108 -2.515 2.698 -9.610 1.00 0.00 C ATOM 1224 C GLY A 108 -1.245 2.895 -8.805 1.00 0.00 C ATOM 1225 O GLY A 108 -0.149 2.949 -9.360 1.00 0.00 O ATOM 0 H GLY A 108 -2.420 3.825 -11.344 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.356 2.497 -8.946 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.415 1.835 -10.268 1.00 0.00 H new ATOM 1229 N VAL A 109 -1.410 2.999 -7.497 1.00 0.00 N ATOM 1230 CA VAL A 109 -0.325 3.060 -6.523 1.00 0.00 C ATOM 1231 C VAL A 109 -0.411 1.766 -5.711 1.00 0.00 C ATOM 1232 O VAL A 109 -1.407 1.034 -5.810 1.00 0.00 O ATOM 1233 CB VAL A 109 -0.379 4.356 -5.698 1.00 0.00 C ATOM 1234 CG1 VAL A 109 -0.729 5.551 -6.603 1.00 0.00 C ATOM 1235 CG2 VAL A 109 -1.286 4.239 -4.474 1.00 0.00 C ATOM 0 H VAL A 109 -2.333 3.045 -7.066 1.00 0.00 H new ATOM 0 HA VAL A 109 0.657 3.112 -6.993 1.00 0.00 H new ATOM 0 HB VAL A 109 0.615 4.537 -5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.764 6.462 -6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.030 5.655 -7.379 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.701 5.384 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.286 5.183 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.301 4.005 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -0.919 3.445 -3.824 1.00 0.00 H new ATOM 1245 N VAL A 110 0.566 1.483 -4.859 1.00 0.00 N ATOM 1246 CA VAL A 110 0.370 0.590 -3.754 1.00 0.00 C ATOM 1247 C VAL A 110 0.471 1.378 -2.471 1.00 0.00 C ATOM 1248 O VAL A 110 1.063 2.455 -2.418 1.00 0.00 O ATOM 1249 CB VAL A 110 1.328 -0.601 -3.799 1.00 0.00 C ATOM 1250 CG1 VAL A 110 1.437 -1.218 -5.195 1.00 0.00 C ATOM 1251 CG2 VAL A 110 2.681 -0.446 -3.145 1.00 0.00 C ATOM 0 H VAL A 110 1.507 1.870 -4.925 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.626 0.151 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 110 0.826 -1.306 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 110 2.130 -2.059 -5.168 1.00 0.00 H new ATOM 0 HG12 VAL A 110 0.456 -1.567 -5.516 1.00 0.00 H new ATOM 0 HG13 VAL A 110 1.803 -0.468 -5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 110 3.248 -1.370 -3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 110 3.223 0.372 -3.620 1.00 0.00 H new ATOM 0 HG23 VAL A 110 2.550 -0.228 -2.085 1.00 0.00 H new ATOM 1261 N VAL A 111 -0.011 0.779 -1.407 1.00 0.00 N ATOM 1262 CA VAL A 111 0.389 1.100 -0.070 1.00 0.00 C ATOM 1263 C VAL A 111 1.112 -0.123 0.477 1.00 0.00 C ATOM 1264 O VAL A 111 0.907 -1.235 0.001 1.00 0.00 O ATOM 1265 CB VAL A 111 -0.886 1.537 0.662 1.00 0.00 C ATOM 1266 CG1 VAL A 111 -0.864 1.223 2.139 1.00 0.00 C ATOM 1267 CG2 VAL A 111 -1.132 3.016 0.383 1.00 0.00 C ATOM 0 H VAL A 111 -0.709 0.037 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 111 1.094 1.924 0.038 1.00 0.00 H new ATOM 0 HB VAL A 111 -1.722 0.955 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -1.795 1.558 2.596 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.757 0.148 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -0.024 1.736 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.037 3.338 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.283 3.600 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.252 3.169 -0.690 1.00 0.00 H new ATOM 1277 N GLN A 112 1.944 0.107 1.483 1.00 0.00 N ATOM 1278 CA GLN A 112 2.594 -0.879 2.335 1.00 0.00 C ATOM 1279 C GLN A 112 2.607 -0.306 3.725 1.00 0.00 C ATOM 1280 O GLN A 112 2.741 0.907 3.818 1.00 0.00 O ATOM 1281 CB GLN A 112 4.057 -1.091 1.905 1.00 0.00 C ATOM 1282 CG GLN A 112 4.730 -2.240 2.690 1.00 0.00 C ATOM 1283 CD GLN A 112 5.644 -3.113 1.837 1.00 0.00 C ATOM 1284 OE1 GLN A 112 5.415 -4.316 1.713 1.00 0.00 O ATOM 1285 NE2 GLN A 112 6.648 -2.533 1.208 1.00 0.00 N ATOM 0 H GLN A 112 2.201 1.059 1.744 1.00 0.00 H new ATOM 0 HA GLN A 112 2.065 -1.830 2.273 1.00 0.00 H new ATOM 0 HB2 GLN A 112 4.093 -1.311 0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 112 4.618 -0.169 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.309 -1.817 3.511 1.00 0.00 H new ATOM 0 HG3 GLN A 112 3.956 -2.866 3.135 1.00 0.00 H new ATOM 0 HE21 GLN A 112 6.816 -1.534 1.328 1.00 0.00 H new ATOM 0 HE22 GLN A 112 7.256 -3.083 0.602 1.00 0.00 H new ATOM 1294 N GLY A 113 2.540 -1.142 4.749 1.00 0.00 N ATOM 1295 CA GLY A 113 2.734 -0.799 6.139 1.00 0.00 C ATOM 1296 C GLY A 113 1.901 -1.780 6.938 1.00 0.00 C ATOM 1297 O GLY A 113 2.191 -2.972 6.869 1.00 0.00 O ATOM 0 H GLY A 113 2.337 -2.133 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.787 -0.868 6.414 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.421 0.227 6.334 1.00 0.00 H new ATOM 1301 N GLU A 114 0.863 -1.340 7.649 1.00 0.00 N ATOM 1302 CA GLU A 114 0.214 -2.166 8.662 1.00 0.00 C ATOM 1303 C GLU A 114 -1.296 -2.063 8.540 1.00 0.00 C ATOM 1304 O GLU A 114 -1.810 -1.129 7.933 1.00 0.00 O ATOM 1305 CB GLU A 114 0.727 -1.734 10.043 1.00 0.00 C ATOM 1306 CG GLU A 114 0.728 -2.864 11.067 1.00 0.00 C ATOM 1307 CD GLU A 114 1.670 -2.553 12.232 1.00 0.00 C ATOM 1308 OE1 GLU A 114 1.315 -1.799 13.162 1.00 0.00 O ATOM 1309 OE2 GLU A 114 2.791 -3.115 12.251 1.00 0.00 O ATOM 0 H GLU A 114 0.454 -0.412 7.540 1.00 0.00 H new ATOM 0 HA GLU A 114 0.462 -3.218 8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.740 -1.345 9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.107 -0.918 10.414 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.283 -3.018 11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.034 -3.794 10.587 1.00 0.00 H new ATOM 1316 N LEU A 115 -2.010 -3.036 9.084 1.00 0.00 N ATOM 1317 CA LEU A 115 -3.469 -3.045 9.113 1.00 0.00 C ATOM 1318 C LEU A 115 -3.941 -2.364 10.402 1.00 0.00 C ATOM 1319 O LEU A 115 -3.291 -2.515 11.435 1.00 0.00 O ATOM 1320 CB LEU A 115 -3.955 -4.496 8.971 1.00 0.00 C ATOM 1321 CG LEU A 115 -5.040 -4.643 7.878 1.00 0.00 C ATOM 1322 CD1 LEU A 115 -5.443 -6.099 7.663 1.00 0.00 C ATOM 1323 CD2 LEU A 115 -6.283 -3.781 8.079 1.00 0.00 C ATOM 0 H LEU A 115 -1.589 -3.854 9.525 1.00 0.00 H new ATOM 0 HA LEU A 115 -3.897 -2.483 8.283 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.109 -5.139 8.730 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -4.354 -4.839 9.926 1.00 0.00 H new ATOM 0 HG LEU A 115 -4.554 -4.264 6.979 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.207 -6.154 6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.571 -6.676 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.840 -6.508 8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.983 -3.955 7.262 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.758 -4.042 9.025 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.998 -2.729 8.094 1.00 0.00 H new ATOM 1335 N GLU A 116 -5.030 -1.592 10.336 1.00 0.00 N ATOM 1336 CA GLU A 116 -5.488 -0.752 11.436 1.00 0.00 C ATOM 1337 C GLU A 116 -6.601 -1.474 12.200 1.00 0.00 C ATOM 1338 O GLU A 116 -6.408 -1.824 13.366 1.00 0.00 O ATOM 1339 CB GLU A 116 -5.931 0.607 10.867 1.00 0.00 C ATOM 1340 CG GLU A 116 -5.930 1.779 11.852 1.00 0.00 C ATOM 1341 CD GLU A 116 -6.890 1.618 13.021 1.00 0.00 C ATOM 1342 OE1 GLU A 116 -8.111 1.807 12.817 1.00 0.00 O ATOM 1343 OE2 GLU A 116 -6.403 1.380 14.154 1.00 0.00 O ATOM 0 H GLU A 116 -5.621 -1.535 9.507 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.687 -0.564 12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -5.278 0.859 10.032 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -6.937 0.499 10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.920 1.909 12.242 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.183 2.692 11.312 1.00 0.00 H new ATOM 1350 N LYS A 117 -7.770 -1.686 11.565 1.00 0.00 N ATOM 1351 CA LYS A 117 -8.931 -2.283 12.233 1.00 0.00 C ATOM 1352 C LYS A 117 -9.948 -2.972 11.344 1.00 0.00 C ATOM 1353 O LYS A 117 -10.394 -4.066 11.694 1.00 0.00 O ATOM 1354 CB LYS A 117 -9.641 -1.237 13.110 1.00 0.00 C ATOM 1355 CG LYS A 117 -9.433 -1.490 14.609 1.00 0.00 C ATOM 1356 CD LYS A 117 -10.647 -2.119 15.289 1.00 0.00 C ATOM 1357 CE LYS A 117 -11.068 -3.424 14.612 1.00 0.00 C ATOM 1358 NZ LYS A 117 -12.070 -4.155 15.404 1.00 0.00 N ATOM 0 H LYS A 117 -7.930 -1.450 10.586 1.00 0.00 H new ATOM 0 HA LYS A 117 -8.499 -3.085 12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -9.270 -0.244 12.857 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -10.708 -1.245 12.888 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.571 -2.143 14.744 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.198 -0.546 15.101 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -10.417 -2.312 16.337 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -11.479 -1.415 15.270 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.475 -3.206 13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.192 -4.055 14.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.329 -5.033 14.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.674 -4.386 16.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -12.917 -3.563 15.524 1.00 0.00 H new ATOM 1372 N GLY A 118 -10.411 -2.315 10.286 1.00 0.00 N ATOM 1373 CA GLY A 118 -11.457 -2.860 9.431 1.00 0.00 C ATOM 1374 C GLY A 118 -10.862 -3.165 8.075 1.00 0.00 C ATOM 1375 O GLY A 118 -10.562 -4.315 7.754 1.00 0.00 O ATOM 0 H GLY A 118 -10.074 -1.396 9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -11.874 -3.765 9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -12.275 -2.147 9.333 1.00 0.00 H new ATOM 1379 N ASN A 119 -10.670 -2.113 7.286 1.00 0.00 N ATOM 1380 CA ASN A 119 -10.113 -2.145 5.939 1.00 0.00 C ATOM 1381 C ASN A 119 -9.195 -0.934 5.737 1.00 0.00 C ATOM 1382 O ASN A 119 -9.138 -0.380 4.637 1.00 0.00 O ATOM 1383 CB ASN A 119 -11.215 -2.171 4.849 1.00 0.00 C ATOM 1384 CG ASN A 119 -12.313 -3.211 4.926 1.00 0.00 C ATOM 1385 OD1 ASN A 119 -13.452 -2.952 4.539 1.00 0.00 O ATOM 1386 ND2 ASN A 119 -11.999 -4.427 5.322 1.00 0.00 N ATOM 0 H ASN A 119 -10.911 -1.168 7.584 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.540 -3.067 5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.692 -1.191 4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -10.719 -2.290 3.886 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -12.703 -5.165 5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -11.052 -4.631 5.641 1.00 0.00 H new ATOM 1393 N HIS A 120 -8.505 -0.491 6.795 1.00 0.00 N ATOM 1394 CA HIS A 120 -7.696 0.721 6.753 1.00 0.00 C ATOM 1395 C HIS A 120 -6.249 0.322 6.962 1.00 0.00 C ATOM 1396 O HIS A 120 -5.941 -0.418 7.891 1.00 0.00 O ATOM 1397 CB HIS A 120 -8.173 1.698 7.829 1.00 0.00 C ATOM 1398 CG HIS A 120 -7.474 3.046 7.879 1.00 0.00 C ATOM 1399 ND1 HIS A 120 -7.501 3.962 8.918 1.00 0.00 N ATOM 1400 CD2 HIS A 120 -6.591 3.531 6.953 1.00 0.00 C ATOM 1401 CE1 HIS A 120 -6.636 4.953 8.623 1.00 0.00 C ATOM 1402 NE2 HIS A 120 -6.090 4.739 7.420 1.00 0.00 N ATOM 0 H HIS A 120 -8.495 -0.964 7.698 1.00 0.00 H new ATOM 0 HA HIS A 120 -7.793 1.225 5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.239 1.872 7.683 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.058 1.218 8.801 1.00 0.00 H new ATOM 0 HD1 HIS A 120 -8.075 3.898 9.759 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -6.329 3.056 6.019 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.416 5.795 9.263 1.00 0.00 H new ATOM 1410 N ILE A 121 -5.379 0.793 6.081 1.00 0.00 N ATOM 1411 CA ILE A 121 -3.959 0.529 6.073 1.00 0.00 C ATOM 1412 C ILE A 121 -3.234 1.754 6.629 1.00 0.00 C ATOM 1413 O ILE A 121 -3.485 2.884 6.215 1.00 0.00 O ATOM 1414 CB ILE A 121 -3.534 0.230 4.621 1.00 0.00 C ATOM 1415 CG1 ILE A 121 -4.534 -0.635 3.808 1.00 0.00 C ATOM 1416 CG2 ILE A 121 -2.131 -0.388 4.642 1.00 0.00 C ATOM 1417 CD1 ILE A 121 -4.763 -2.047 4.347 1.00 0.00 C ATOM 0 H ILE A 121 -5.666 1.401 5.314 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.706 -0.330 6.695 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.528 1.180 4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.492 -0.117 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.174 -0.709 2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -1.814 -0.606 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -1.431 0.313 5.097 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.149 -1.311 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.477 -2.569 3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.819 -2.591 4.355 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.157 -1.990 5.362 1.00 0.00 H new ATOM 1429 N LEU A 122 -2.286 1.554 7.534 1.00 0.00 N ATOM 1430 CA LEU A 122 -1.226 2.509 7.784 1.00 0.00 C ATOM 1431 C LEU A 122 -0.244 2.279 6.664 1.00 0.00 C ATOM 1432 O LEU A 122 0.425 1.253 6.603 1.00 0.00 O ATOM 1433 CB LEU A 122 -0.490 2.267 9.102 1.00 0.00 C ATOM 1434 CG LEU A 122 -1.136 2.865 10.348 1.00 0.00 C ATOM 1435 CD1 LEU A 122 -1.541 4.354 10.233 1.00 0.00 C ATOM 1436 CD2 LEU A 122 -2.331 2.042 10.801 1.00 0.00 C ATOM 0 H LEU A 122 -2.234 0.718 8.117 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.642 3.515 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -0.392 1.191 9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.519 2.670 9.011 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.346 2.828 11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.990 4.682 11.170 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.657 4.956 10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.261 4.474 9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.768 2.495 11.691 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.075 2.013 10.005 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.007 1.027 11.032 1.00 0.00 H new ATOM 1448 N ALA A 123 -0.201 3.220 5.751 1.00 0.00 N ATOM 1449 CA ALA A 123 0.862 3.341 4.784 1.00 0.00 C ATOM 1450 C ALA A 123 2.155 3.766 5.470 1.00 0.00 C ATOM 1451 O ALA A 123 2.160 4.634 6.340 1.00 0.00 O ATOM 1452 CB ALA A 123 0.469 4.364 3.738 1.00 0.00 C ATOM 0 H ALA A 123 -0.920 3.938 5.658 1.00 0.00 H new ATOM 0 HA ALA A 123 1.026 2.375 4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 123 1.269 4.460 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.445 4.041 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 123 0.299 5.328 4.218 1.00 0.00 H new ATOM 1458 N LYS A 124 3.266 3.205 5.003 1.00 0.00 N ATOM 1459 CA LYS A 124 4.621 3.461 5.471 1.00 0.00 C ATOM 1460 C LYS A 124 5.402 4.143 4.368 1.00 0.00 C ATOM 1461 O LYS A 124 6.320 4.890 4.689 1.00 0.00 O ATOM 1462 CB LYS A 124 5.275 2.156 5.989 1.00 0.00 C ATOM 1463 CG LYS A 124 6.387 1.499 5.135 1.00 0.00 C ATOM 1464 CD LYS A 124 7.821 1.935 5.507 1.00 0.00 C ATOM 1465 CE LYS A 124 8.848 0.788 5.449 1.00 0.00 C ATOM 1466 NZ LYS A 124 9.100 0.220 4.103 1.00 0.00 N ATOM 0 H LYS A 124 3.242 2.522 4.246 1.00 0.00 H new ATOM 0 HA LYS A 124 4.612 4.139 6.325 1.00 0.00 H new ATOM 0 HB2 LYS A 124 5.692 2.362 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 124 4.483 1.420 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 124 6.312 0.416 5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.209 1.735 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.137 2.729 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 124 7.815 2.356 6.513 1.00 0.00 H new ATOM 0 HE2 LYS A 124 9.793 1.150 5.853 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.507 -0.014 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 9.711 -0.617 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 8.196 -0.054 3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 9.569 0.932 3.508 1.00 0.00 H new ATOM 1480 N GLU A 125 5.050 3.917 3.088 1.00 0.00 N ATOM 1481 CA GLU A 125 5.899 4.465 2.029 1.00 0.00 C ATOM 1482 C GLU A 125 5.233 4.707 0.661 1.00 0.00 C ATOM 1483 O GLU A 125 5.755 5.491 -0.121 1.00 0.00 O ATOM 1484 CB GLU A 125 7.097 3.522 1.918 1.00 0.00 C ATOM 1485 CG GLU A 125 6.708 2.191 1.283 1.00 0.00 C ATOM 1486 CD GLU A 125 7.716 1.085 1.588 1.00 0.00 C ATOM 1487 OE1 GLU A 125 8.943 1.301 1.475 1.00 0.00 O ATOM 1488 OE2 GLU A 125 7.273 0.022 2.082 1.00 0.00 O ATOM 0 H GLU A 125 4.233 3.390 2.779 1.00 0.00 H new ATOM 0 HA GLU A 125 6.177 5.479 2.317 1.00 0.00 H new ATOM 0 HB2 GLU A 125 7.879 3.995 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 125 7.514 3.345 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 125 5.724 1.892 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 125 6.626 2.317 0.203 1.00 0.00 H new ATOM 1495 N VAL A 126 4.078 4.086 0.392 1.00 0.00 N ATOM 1496 CA VAL A 126 3.180 4.322 -0.751 1.00 0.00 C ATOM 1497 C VAL A 126 3.834 4.295 -2.132 1.00 0.00 C ATOM 1498 O VAL A 126 4.372 5.304 -2.593 1.00 0.00 O ATOM 1499 CB VAL A 126 2.385 5.621 -0.544 1.00 0.00 C ATOM 1500 CG1 VAL A 126 1.307 5.778 -1.616 1.00 0.00 C ATOM 1501 CG2 VAL A 126 1.708 5.555 0.811 1.00 0.00 C ATOM 0 H VAL A 126 3.720 3.356 1.007 1.00 0.00 H new ATOM 0 HA VAL A 126 2.510 3.463 -0.760 1.00 0.00 H new ATOM 0 HB VAL A 126 3.069 6.468 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.758 6.705 -1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 126 1.774 5.807 -2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.618 4.935 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 126 1.138 6.469 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 126 1.036 4.697 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 126 2.463 5.451 1.590 1.00 0.00 H new ATOM 1511 N LEU A 127 3.735 3.179 -2.865 1.00 0.00 N ATOM 1512 CA LEU A 127 4.630 3.014 -3.997 1.00 0.00 C ATOM 1513 C LEU A 127 3.888 3.133 -5.319 1.00 0.00 C ATOM 1514 O LEU A 127 2.945 2.404 -5.586 1.00 0.00 O ATOM 1515 CB LEU A 127 5.261 1.646 -3.935 1.00 0.00 C ATOM 1516 CG LEU A 127 6.006 1.229 -2.641 1.00 0.00 C ATOM 1517 CD1 LEU A 127 7.166 2.182 -2.351 1.00 0.00 C ATOM 1518 CD2 LEU A 127 5.207 0.932 -1.364 1.00 0.00 C ATOM 0 H LEU A 127 3.077 2.417 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 127 5.383 3.800 -3.943 1.00 0.00 H new ATOM 0 HB2 LEU A 127 4.476 0.911 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.967 1.569 -4.762 1.00 0.00 H new ATOM 0 HG LEU A 127 6.352 0.230 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 127 7.674 1.870 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 127 7.870 2.162 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 127 6.782 3.194 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 127 5.892 0.657 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 127 4.644 1.819 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 127 4.517 0.109 -1.550 1.00 0.00 H new ATOM 1530 N ALA A 128 4.316 4.018 -6.205 1.00 0.00 N ATOM 1531 CA ALA A 128 3.560 4.332 -7.427 1.00 0.00 C ATOM 1532 C ALA A 128 4.142 3.586 -8.625 1.00 0.00 C ATOM 1533 O ALA A 128 4.519 4.193 -9.629 1.00 0.00 O ATOM 1534 CB ALA A 128 3.383 5.843 -7.620 1.00 0.00 C ATOM 0 H ALA A 128 5.187 4.539 -6.108 1.00 0.00 H new ATOM 0 HA ALA A 128 2.540 3.962 -7.323 1.00 0.00 H new ATOM 0 HB1 ALA A 128 2.819 6.029 -8.534 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.842 6.258 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 128 4.362 6.317 -7.694 1.00 0.00 H new ATOM 1540 N LYS A 129 4.183 2.252 -8.509 1.00 0.00 N ATOM 1541 CA LYS A 129 4.582 1.324 -9.580 1.00 0.00 C ATOM 1542 C LYS A 129 5.918 1.694 -10.255 1.00 0.00 C ATOM 1543 O LYS A 129 6.157 1.342 -11.404 1.00 0.00 O ATOM 1544 CB LYS A 129 3.417 1.189 -10.584 1.00 0.00 C ATOM 1545 CG LYS A 129 2.198 0.434 -10.028 1.00 0.00 C ATOM 1546 CD LYS A 129 2.453 -1.079 -9.925 1.00 0.00 C ATOM 1547 CE LYS A 129 1.119 -1.826 -9.933 1.00 0.00 C ATOM 1548 NZ LYS A 129 1.296 -3.287 -10.064 1.00 0.00 N ATOM 0 H LYS A 129 3.933 1.773 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 129 4.780 0.350 -9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 129 3.103 2.185 -10.897 1.00 0.00 H new ATOM 0 HB3 LYS A 129 3.776 0.673 -11.475 1.00 0.00 H new ATOM 0 HG2 LYS A 129 1.947 0.827 -9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 129 1.337 0.613 -10.671 1.00 0.00 H new ATOM 0 HD2 LYS A 129 3.072 -1.411 -10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 129 3.002 -1.304 -9.011 1.00 0.00 H new ATOM 0 HE2 LYS A 129 0.578 -1.609 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 129 0.506 -1.461 -10.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 0.365 -3.751 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 1.789 -3.498 -10.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 1.859 -3.642 -9.265 1.00 0.00 H new